xamoterol Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
bronchodilators, phenethylamine derivatives 2848 81801-12-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • xamoterol
  • xamoterol fumarate
  • xamoterol hemifumarate
A phenoxypropanolamine derivative that is a selective beta-1-adrenergic agonist.
  • Molecular weight: 339.39
  • Formula: C16H25N3O5
  • CLOGP: 0.43
  • LIPINSKI: 0
  • HAC: 8
  • HDO: 4
  • TPSA: 103.29
  • ALOGS: -1.99
  • ROTB: 8

Drug dosage:

DoseUnitRoute
0.40 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 3 Hosey CM, Chan R, Benet LZ
BA (Bioavailability) 7 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 0.64 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 3 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.97 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 7.70 hours Lombardo F, Berellini G, Obach RS

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC C01CX07 CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Other cardiac stimulants
MeSH PA D018663 Adrenergic Agents
MeSH PA D000322 Adrenergic Agonists
MeSH PA D058665 Adrenergic beta-1 Receptor Agonists
MeSH PA D000318 Adrenergic beta-Agonists
MeSH PA D018377 Neurotransmitter Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 10.48 acidic
pKa2 13.78 acidic
pKa3 7.77 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Beta-2 adrenergic receptor GPCR Kd 6.18 CHEMBL
Beta-1 adrenergic receptor GPCR Kd 7.75 CHEMBL
Beta-3 adrenergic receptor GPCR Kd 4.70 CHEMBL

External reference:

IDSource
N0000167043 NUI
D06328 KEGG_DRUG
73210-73-8 SECONDARY_CAS_RN
C0078595 UMLSCUI
CHEBI:10055 CHEBI
CHEMBL75753 ChEMBL_ID
CHEMBL1329567 ChEMBL_ID
CHEMBL2104466 ChEMBL_ID
CHEMBL1256945 ChEMBL_ID
D017307 MESH_DESCRIPTOR_UI
5271 INN_ID
7HE0JQL703 UNII
155774 PUBCHEM_CID
538 IUPHAR_LIGAND_ID
DB13781 DRUGBANK_ID
39801 RXNORM
004066 NDDF
004067 NDDF
349941002 SNOMEDCT_US
418668004 SNOMEDCT_US

Pharmaceutical products:

None